2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-32-23-14-21(15-24(33-2)27(23)34-3)28-25(31)18-35-17-20-16-30(22-12-8-5-9-13-22)29-26(20)19-10-6-4-7-11-19/h4-16H,17-18H2,1-3H3,(H,28,31)